ent- I5-Oxo-(-)-kaur-16-en-19-oic acid

ent- I5-Oxo-(-)-kaur-16-en-19-oic acid

Common Name: ent- I5-Oxo-(-)-kaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15-,16+,17-,18+,19-,20-/m1/s1

InChIKey: InChIKey=LYIUHFZMUDDFHQ-DXXZMKCOSA-N

Formula: C20H32O2

Molecular Weight: 304.467632

Exact Mass: 304.24023

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Boaventura, M.A.D., Hanson, J.R., Hitchcock, P.B., Takahashi, J.A. Phytochemistry (1994) 37, 387-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH2) 40.4
2 (CH2) 18.3
3 (CH2) 35.2
4 (C) 38.6
5 (CH) 56.6
6 (CH2) 20.1
7 (CH2) 36.3
8 (C) 45.7
9 (CH) 46.6
10 (C) 38.9
11 (CH2) 18.2
12 (CH2) 33.2
13 (CH) 40.1
14 (CH2) 39.2
15 (CH) 82.4
16 (C) 158.4
17 (CH2) 104.8
18 (CH3) 26.9
19 (CH2) 65.5
20 (CH3) 18.1